Diffusion lammps (efficient_neuronet) Browse

lammps/regtest/restart/refoutput/lj_sdk.ref-opt-02
221499203559efficient_neuronet

lj_sdk.ref-opt-02
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			4 atoms
			3 bonds
			2 angles
			1 dihedrals

			1 atom types
			1 bond types
			1 angle types
			1 dihedral types

			-1.0000000000000000e+01 1.0000000000000000e+01 xlo xhi
			-1.0000000000000000e+01 1.0000000000000000e+01 ylo yhi
			-5.0000000000000000e+00 5.0000000000000000e+00 zlo zhi

			Masses

			1 1

			Pair Coeffs


			Atoms

			1 1 1 -3.3333299999999999e-01 -7.5000000000000000e-01 -7.5000000000000000e-01 0.0000000000000000e+00 0 0 0
			2 1 1 -3.3333299999999999e-01 7.5000000000000000e-01 -7.5000000000000000e-01 0.0000000000000000e+00 0 0 0
			3 1 1 -3.3333299999999999e-01 -7.5000000000000000e-01 7.5000000000000000e-01 0.0000000000000000e+00 0 0 0
			4 1 1 1.0000000000000000e+00 7.5000000000000000e-01 7.5000000000000000e-01 0.0000000000000000e+00 0 0 0

			Velocities

			1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
			2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
			3 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
			4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00

			Bonds

			1 1 1 2
			2 1 2 3
			3 1 3 4

			Angles

			1 1 1 2 3
			2 1 2 3 4

			Dihedrals

			1 1 1 2 3 4

			pair_style lj/sdk
			special_bonds lj 1 1 1 coul 1 1 1


			mass 1 1

			pair_coeff 1 1 lj12_6 1 1